2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-tosylpiperazino)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H25N3O4S/c1-18-8-10-20(11-9-18)33(31,32)27-15-12-26(13-16-27)14-17-28-24(29)21-6-2-4-19-5-3-7-22(23(19)21)25(28)30/h2-11H,12-17H2,1H3